5-amino-1,4-diethylpyrazole-3-carboxylic acid

C8H13N3O2 — CID 21432458

IUPAC5-amino-1,4-diethylpyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)nn(CC)c1N
InChIInChI=1S/C8H13N3O2/c1-3-5-6(8(12)13)10-11(4-2)7(5)9/h3-4,9H2,1-2H3,(H,12,13)
InChIKeyRRBRDBRZGATFRW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.75
Rot. Bonds3

About 5-amino-1,4-diethylpyrazole-3-carboxylic acid

5-amino-1,4-diethylpyrazole-3-carboxylic acid (PubChem CID 21432458) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-1,4-diethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1,4-diethylpyrazole-3-carboxylic acid
PubChem CID21432458
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-amino-1,4-diethylpyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)nn(CC)c1N
InChIInChI=1S/C8H13N3O2/c1-3-5-6(8(12)13)10-11(4-2)7(5)9/h3-4,9H2,1-2H3,(H,12,13)
InChIKeyRRBRDBRZGATFRW-UHFFFAOYSA-N
XLogP0.75
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 105450680
5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid
CID 105450679
5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105480219
1-ethyl-4,5-dimethylpyrazole-3-carboxylic acid
CID 89432142
methyl 5-amino-4-cyclohexyl-1-ethylpyrazole-3-carboxylate
CID 165486036
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
CID 165475313
4-bromo-1-ethyl-5-methylpyrazole-3-carboxylic acid
CID 116858299
methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
CID 105465044
methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 165485668
ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate
CID 165488403
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
5-bromo-4-tert-butyl-1-ethylpyrazole-3-carboxylic acid
CID 117246763

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,4-diethylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1,4-diethylpyrazole-3-carboxylic acid (CID 21432458) is 5-amino-1,4-diethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1,4-diethylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1,4-diethylpyrazole-3-carboxylic acid is CCc1c(C(=O)O)nn(CC)c1N.
What is the InChIKey of 5-amino-1,4-diethylpyrazole-3-carboxylic acid?
The InChIKey is RRBRDBRZGATFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-5-6(8(12)13)10-11(4-2)7(5)9/h3-4,9H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-1,4-diethylpyrazole-3-carboxylic acid?
5-amino-1,4-diethylpyrazole-3-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,4-diethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 21432458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).